Residue IE Filer

Case number:699969-996207
Opened by:Vman
Opened on:Wednesday, October 30, 2013 - 15:52
Last modified:Saturday, November 2, 2013 - 03:22

When my residue IE filter doesn't detect low scoring sidechains I see this:

Many others are showing a 50 point bonus as shown here:

(Wed, 10/30/2013 - 15:52  |  4 comments)

Joined: 06/24/2008
Groups: Void Crushers

As Vman noticed my track getting the 50pts bonus says:
Residue IE SCore gained points: (+50) Fliter Passes

The track not getting pts says:
Residue IE Score: score no change
There are 0 residues that are scoring too low.

Joined: 09/21/2011
Groups: Void Crushers

Suggestion to the dev's: when specifying the IE filter pls add, you get a 50 pt bonus if you dont use any of these 3.

spmm's picture
User offline. Last seen 4 weeks 4 days ago. Offline
Joined: 08/05/2010
Groups: Void Crushers

Would someone clarify if you really do not want any at all of those 3 for design purposes, or is the filter to prevent excess use and one or maybe two are ok, and you wear the point loss?

Joined: 12/06/2008
Groups: Contenders

The problem with assigning a plus fifty bonus for no aromatics is that you lose more than fifty points when you make those substitutions.

PHE-TYR-TRP are not bad! You can really have a few in your design. There are certainly plenty of them in real-life proteins. Please fix the scoring function with something other than this Band-Aid approach.

My current design has a rather large void that a tryptophan fits in, nicely, and scores some forty points. I am not removing it. All other sidechains drop the score up to a hundred points.


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